Journal
ACS APPLIED MATERIALS & INTERFACES
Volume 6, Issue 20, Pages 18147-18151Publisher
AMER CHEMICAL SOC
DOI: 10.1021/am5050423
Keywords
interfacial lithium storage; pseudocapacity-like storage mechanism; interfacial oxygen atoms; discharge process; first-principles calculations
Funding
- National Natural Science Foundation of China [11474216, 51272173, 51371157]
- China-EU Science and Technology Cooperation Project [1206]
- National Key Basic Research Program of China [2012CB825700]
- key technologies R & D program of Tianjin [12ZCZDGX00800]
- Innovation Foundation of Tianjin University
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Graphene/metal-oxide nanocomposites have been widely studied as anode materials for lithium ion batteries and exhibit much higher lithium storage capacity beyond their theoretical capacity through mechanisms that are still poorly understood. In this research, we present a comprehensive understanding in microscale of the discharge process of graphene/TiO2 containing surface, bulk, and interfacial lithium storage based on the first-principles total energy calculations. It is revealed that interfacial oxygen atoms play an important role on the interfacial lithium storage. The additional capacity originating from surface and interfacial lithium storage via an electrostatic capacitive mechanism contributes significantly to the electrode capacity. The research demonstrates that for nanocomposites used in energy storage materials, electrode and capacitor behavior could be optimized to develop high-performance electrode materials with the balance of storage capacity and rate.
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